(R)-1-phenyl-2-pentanol

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (R)-1-phenyl-2-pentanol
• 英文别名: (2R)-1-phenylpentan-2-ol
• 化学式: C₁₁H₁₆O
• 分子量: 164.247
• InChiKey: FCURFTSXOIATDW-LLVKDONJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  戊基苯	pentylbenzene	538-68-1	C11H16	148.248
  1-苯基-2-戊酮	1-phenylpentan-2-one	6683-92-7	C11H14O	162.232

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 (R)-1-phenyl-2-pentanol 在 吡啶 作用下， 生成 (R)-1-phenyl-2-pentyl acetate
  参考文献：
  名称：

  通过双位点突变扩大热厌氧菌假乙醇二级醇脱氢酶的底物特异性

  摘要：

  作者感谢法赫德国王石油和矿产大学 (KFUPM) 科学研究院长 (DSR) 为在项目编号 IN151032 下资助这项工作提供的支持。他们还感谢阿卜杜拉国王科技大学对 SMH 的基线研究基金的支持。

  DOI：

  10.1002/ejoc.201701351
• 作为产物：
  描述：

  1-苯基-2-戊酮 在 DL-dithiothreitol 、 W₁₁₀A/I₈₆A double mutated thermoanaerobacter pseudoethanolicus secondary alcohol dehydrogenase 、 nicotinamide adenine dinucleotide phosphate 、 异丙醇 、 zinc(II) chloride 作用下， 以 aq. buffer 为溶剂， 以98% ee的产率得到
  参考文献：
  名称：

  通过双位点突变扩大热厌氧菌假乙醇二级醇脱氢酶的底物特异性

  摘要：

  作者感谢法赫德国王石油和矿产大学 (KFUPM) 科学研究院长 (DSR) 为在项目编号 IN151032 下资助这项工作提供的支持。他们还感谢阿卜杜拉国王科技大学对 SMH 的基线研究基金的支持。

  DOI：

  10.1002/ejoc.201701351

文献信息

• Recombinant porcine liver esterases, their use and a method for the production thereof
  申请人：——

  公开号：US20040161836A1

  公开（公告）日：2004-08-19

  The invention relates to biotechnologically expressible, enzymically active recombinant porcine liver esterases, to a biotechnological method for the preparation thereof and to the use thereof in organic synthesis. The monomeric subunits of recombinant porcine liver esterase are truncated at their C-terminal end, compared with naturally occurring porcine liver esterase subunits. Moreover, it has proved to be an additional advantage to truncate the N-terminal end as well.

  这项发明涉及生物技术表达的、具有酶活性的重组猪肝酯酶，以及一种用于制备该酶的生物技术方法，以及在有机合成中使用该酶的方法。重组猪肝酯酶的单体亚基在其C端与天然存在的猪肝酯酶亚基相比被截短。此外，证明将N端也截短是额外的优势。
• SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF
  申请人：Asahi Kasei Pharma Corporation

  公开号：EP1847533A1

  公开（公告）日：2007-10-24

  A compound represented by the general formula (I) or a salt thereof: [T represents oxygen atom and the like; V represents CH2 and the like; RO1 to RO4 represent hydrogen atom and the like; A represents a linear alkylene group or linear alkenylene group having 2 to 8 carbon atoms and the like; D represents carboxyl group and the like; X represents ethylene group, trimethylene group and the like; E represents -CH(OH)- group and the like; and W represent -U1-(RW1)(RW2)-U2-U3 group (U1 represents a single bond, an alkylene group having 1 to 4 carbon atoms and the like; RW1 and RW2 represent hydrogen atom and the like; U2 represents a single bond, an alkylene group having 1 to 4 carbon atoms and the like; and U3 represent an alkyl group having 1 to 8 carbon atoms and the like), or a residue of a carbon ring or heterocyclic compound], which can be utilized as an active ingredient of medicaments effective for prophylactic and/or therapeutic treatment of skeletal diseases such as osteoporosis and fracture, glaucoma, ulcerative colitis and the like.

  通式 (I) 所代表的化合物或其盐： [T 代表氧原子等；V 代表 CH2 等；RO1 至 RO4 代表氢原子等；A 代表具有 2 至 8 个碳原子的直链烯基或直链烯基等；D 代表羧基等；X 代表乙烯基、三亚甲基等；E 代表-CH(OH)- 基等；W 代表-U1-(RW1)(RW2)-U2-U3 基（U1 代表单键、具有 1 至 4 个碳原子的亚烷基等）；RW1 和 RW2 代表氢原子等；U2 代表单键、具有 1 至 4 个碳原子的亚烷基等；U3 代表具有 1 至 8 个碳原子的烷基等），或碳环或杂环化合物的残基]，可用作有效预防和/或治疗骨质疏松症和骨折等骨骼疾病、青光眼、溃疡性结肠炎等疾病的药物的活性成分。
• A group of esterases for the enantioselective production of fine and speciality chemicals
  申请人：B.R.A.I.N. Biotechnology Research And Information Network AG

  公开号：EP2377930A1

  公开（公告）日：2011-10-19

  The present invention relates to a polynucleotide consisting of more than 30 nucleotides encoding an enzyme having carboxylesterase [E.C. 3.1.1.1] activity, wherein the coding sequence is selected from the group consisting of (a) a polynucleotide encoding an amino acid sequence as depicted in SEQ ID NO: 6; (b) a polynucleotide consisting of or comprising a nucleotide sequence, wherein the nucleic acid sequence is as shown in SEQ ID NO: 5; (c) a polynucleotide consisting of or comprising a nucleotide sequence encoding a fragment or derivative of an enzyme encoded by a polynucleotide of (a) or (b), wherein in said derivative one amino acid residue is conservatively substituted compared to the amino acid sequence of (a); (d) a polynucleotide encoding an enzyme having carboxylesterase activity which polynucleotide is at least 66% identical to a polynucleotide encoding an enzyme as shown in SEQ ID NO: 5; (e) a polynucleotide consisting of or comprising a nucleotide sequence the complementary strand of which hybridizes under stringent conditions to a polynucleotide as defined in any one of (a) to (b); and (f) a polynucleotide consisting of or comprising a nucleotide sequence being degenerate to the nucleotide sequence of the polynucleotide of (e); or the complementary strand of such a polynucleotide of (a) to (f).

  本发明涉及一种由 30 个以上核苷酸组成的多核苷酸，该多核苷酸编码一种具有羧基酯酶[E.C. 3.1.1.1]活性的酶的多核苷酸，其中编码序列选自由 SEQ ID NO: 6 所示的氨基酸序列的多核苷酸组成的组；(b) 由核苷酸序列组成或包含核苷酸序列的多核苷酸，其中核酸序列如 SEQ ID NO：5中所示；(c)由编码(a)或(b)的多核苷酸编码的酶的片段或衍生物的核苷酸序列组成或包含该核苷酸序列的多核苷酸，其中在所述衍生物中，与(a)的氨基酸序列相比，一个氨基酸残基被保守取代；(d) 编码具有羧基酯酶活性的酶的多核苷酸，该多核苷酸与 SEQ ID NO：5；(e)由核苷酸序列组成或包含核苷酸序列的多核苷酸，其互补链在严格条件下与(a)至(b)中任一项所定义的多核苷酸杂交；和(f)由核苷酸序列组成或包含与(e)的多核苷酸的核苷酸序列退化的核苷酸序列的多核苷酸；或(a)至(f)的这种多核苷酸的互补链。
• Screening on the use of Kluyveromyces marxianus CBS 6556 growing cells as enantioselective biocatalysts for ketone reductions
  作者：Paola Vitale、Filippo Maria Perna、Maria Grazia Perrone、Antonio Scilimati

  DOI：10.1016/j.tetasy.2011.11.014

  日期：2011.12

  The versatility of Kluyveromyces marxianus CBS 6556 growing cells in the enantioselective reduction of ketone functionalities to the corresponding alcohols was exploited. In particular, methyl ketones were reduced to (S)-alcohols with ees of up to 96%. Longer chain alkyl ketones afforded, under the same experimental condition, (R)-alcohols with an ee of up to 84%. Interestingly, carbon-carbon double and the triple bonds can also be reduced in the presence of Kluyveromyces marxianus CBS 6556 yeast. A cyclic ketone, such as 2-tetralone, was also quantitatively reduced to its corresponding (S)-alcohol with ee = 76%. (C) 2011 Elsevier Ltd. All rights reserved.
• Biocatalytic Asymmetric Hydroxylation of Hydrocarbons with the Topsoil-Microorganism <i>Bacillus </i><i>m</i><i>egaterium</i>
  作者：Waldemar Adam、Zoltan Lukacs、Dag Harmsen、Chantu R. Saha-Möller、Peter Schreier

  DOI：10.1021/jo991725s

  日期：2000.2.1

  A Bacillus megaterium strain was isolated from topsoil by a selective screening procedure with allylbenzene as a xenobiotic substrate. This strain performed the hydroxylation chemoselectively (no arene oxidation and overoxidized products) and enantioselectively (up to 99% ee) in the benzylic and nonbenzylic positions of a variety of unfunctionalized arylalkanes. Salycilate and phenobarbital, which are potent inducers of cytochrome P-450 activity, changed the regioselectivity of the microbial CH insertion, without an effect on the enantioselectivity. The biotransformation conditions were optimized in regard to product yield and enantioselectivity by variation of the oxygen-gas supply and the time of the substrate addition. The different product distributions (alpha- versus beta-hydroxylated product) that are obtained on induction of cytochrome P-450 enzyme activity demonstrate the involvement of two or more hydroxylating enzymes with distinct regioselectivities in this biotransformation. An oxygen-rebound mechanism is assumed for the cytochrome P-450-type monooxygenase activity, in which steric interactions between the substrate and the enzyme determine the preferred face of the hydroxy-group transfer to the radical intermediate.